Substance Identity
CAS Number 7778-96-3
Chemical Name Butanoic acid, 3-methyl-, 3,7-dimethyl-7-octenyl ester, (S)-
Type of substance Organic
SMILES O=C(OCCC(CCCC(=C)C)C)CC(C)C
Moiety of concern organic
Categorization Results

Meets Government of Canada Categorization Criteria? No
Meets Human Health Categorization Criteria? No
Meets Environmental Criteria for Categorization? No
Persistent (P)? No
Rational for P QSAR
Bioaccumulative (B)? No
Rational for B Category
Inherently Toxic to Aquatic Organisms (iT)? Yes
Rational for iT QSAR
DSL Quantity range (tonnes/year) 0 to 1T

Ecological data supporting decisions

Underlying data regarding persistence

Media of concern leading to Categorization Air-Soil
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 15
MITI probability of biodegradation 0.6328
TOPKAT probability of biodegradation 1
EPI Predicted hydrolysis half-life (days) 5.61E+003
EPI Predicted Ozone reaction half-life (days) 0.955
EPI Predicted Atmospheric Oxidation half-life (days) 0.1647

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 6.04
Log BAF T2MTL predicted by Gobas 5.74972586102621
Log BCF 5% T2LTL predicted by Gobas 4.47809822653642
Log BCF Max predicted by OASIS 4.78617467395267
Log BCF predicted by BCFWIN 3.95

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 0.083915
Toxicity to fish (LC50 in mg/l) as predicted by Aster 0.083915
Toxicity to fish (LC50 in mg/l) as predicted by PNN 2.37783
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 0.098
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 3.26E-002

Human Health data supporting decisions
Underlying data regarding potential for exposure

LPE/IPE/GPE Lowest Potential for Exposure (HC Simple Exposure Tool)

Underlying data regarding Previous Assessments

Underlying data regarding Simple Hazard Assessment


Underlying data regarding Complex Hazard Assessment